An improvement on the prediction power of the 3D-QSAR CoMFA models using a hybrid of statistical and machine learning methods: a case study on γ‑secretase modulators of Alzheimer’s disease-Reference-Cited by-同舟云学术

An improvement on the prediction power of the 3D-QSAR CoMFA models using a hybrid of statistical and machine learning methods: a case study on γ‑secretase modulators of Alzheimer’s disease

Published:2017-03-14 Issue:6 Volume:26 Page:1184-1200
ISSN:1054-2523
Container-title:Medicinal Chemistry Research
language:en
Short-container-title:Med Chem Res

Author:

Khani Hadi,Sepehrifar Mohammad B.,Yarahmadian Shantia

Publisher

Springer Science and Business Media LLC

Subject

Organic Chemistry,General Pharmacology, Toxicology and Pharmaceutics

Link

http://link.springer.com/content/pdf/10.1007/s00044-017-1828-7.pdf

Reference55 articles.

1. Baroni M, Costantino G, Cruciani G, Riganelli D, Valigi R, Clementi S (1993) Generating optimal linear PLS estimations (GOLPE): an advanced chemometric tool for handling 3D-QSAR problems. Quant Struct Act Relat 12:9–20

2. Bode W, Wei AZ, Huber R, Meyer E, Travis J, Neumann S (1986) X-ray crystal structure of the complex of human leukocyte elastase (PMN elastase) and the third domain of the turkey ovomucoid inhibitor. EMBO J 5:2453–2458

3. Böhm M, Stürzebecher J, Klebe G (1999) Three-dimensional quantitative structure−activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin, and factor Xa. J Med Chem 42:458–477

4. Borosy AP, Keserű K, Mátyus P (2000) Application of nonlinear and local modeling methods for 3D QSAR study of class I antiarrhythmics. Chemom Intell Lab 54:107–122

5. Cao LJ, Chua KS, Chong WK, Lee HP, Gu QM (2003) A comparison of PCA, KPCA and ICA for dimensionality reduction in support vector machine. Neurocomputing 55:321–336

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